3-(azetidin-2-ylmethoxy)-5-pentylpyridine

C14H22N2O — CID 77323353

IUPAC3-(azetidin-2-ylmethoxy)-5-pentylpyridine
SMILESCCCCCc1cncc(OCC2CCN2)c1
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-12-8-14(10-15-9-12)17-11-13-6-7-16-13/h8-10,13,16H,2-7,11H2,1H3
InChIKeyNPLKGWOOGXZBEJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds7

About 3-(azetidin-2-ylmethoxy)-5-pentylpyridine

3-(azetidin-2-ylmethoxy)-5-pentylpyridine (PubChem CID 77323353) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(azetidin-2-ylmethoxy)-5-pentylpyridine.

Molecular Properties

Compound Name3-(azetidin-2-ylmethoxy)-5-pentylpyridine
PubChem CID77323353
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(azetidin-2-ylmethoxy)-5-pentylpyridine
SMILESCCCCCc1cncc(OCC2CCN2)c1
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-12-8-14(10-15-9-12)17-11-13-6-7-16-13/h8-10,13,16H,2-7,11H2,1H3
InChIKeyNPLKGWOOGXZBEJ-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(2S)-azetidin-2-yl]methoxy]-5-(3-fluoropropyl)pyridine
CID 123202222
3-(azetidin-2-ylmethoxy)-5-[2-(3-ethylphenyl)ethyl]pyridine
CID 90726650
3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
CID 75168462
3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
CID 67615056
[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride
CID 68611909
(1R)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-1-cyclopropylethanol
CID 90893860
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine
CID 59371604
3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-[(2S,5R)-5-(pyridin-3-ylmethyl)oxolan-2-yl]ethyl]pyridine
CID 59371278
6-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]-1,2,3,4-tetrahydroquinoline
CID 59371573
[(1R)-2-[[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]methyl]cycloprop-2-en-1-yl]methanol
CID 163591746
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine
CID 68612151
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-2-ylmethoxy)-5-pentylpyridine?
The IUPAC name of 3-(azetidin-2-ylmethoxy)-5-pentylpyridine (CID 77323353) is 3-(azetidin-2-ylmethoxy)-5-pentylpyridine.
What is the SMILES notation for 3-(azetidin-2-ylmethoxy)-5-pentylpyridine?
The canonical SMILES for 3-(azetidin-2-ylmethoxy)-5-pentylpyridine is CCCCCc1cncc(OCC2CCN2)c1.
What is the InChIKey of 3-(azetidin-2-ylmethoxy)-5-pentylpyridine?
The InChIKey is NPLKGWOOGXZBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-5-12-8-14(10-15-9-12)17-11-13-6-7-16-13/h8-10,13,16H,2-7,11H2,1H3.
What are the key properties of 3-(azetidin-2-ylmethoxy)-5-pentylpyridine?
3-(azetidin-2-ylmethoxy)-5-pentylpyridine has a molecular weight of 234.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-2-ylmethoxy)-5-pentylpyridine is sourced from PubChem (CID 77323353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).